3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide

C23H23FN2O2 — CID 39128435

IUPAC3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)NC1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H23FN2O2/c1-15-21(22(26-28-15)18-7-11-19(24)12-8-18)23(27)25-20-13-9-17(10-14-20)16-5-3-2-4-6-16/h2-8,11-12,17,20H,9-10,13-14H2,1H3,(H,25,27)
InChIKeyVTWIGZHFGGUUOX-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.25
Rot. Bonds4

About 3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide

3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide (PubChem CID 39128435) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide
PubChem CID39128435
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)NC1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H23FN2O2/c1-15-21(22(26-28-15)18-7-11-19(24)12-8-18)23(27)25-20-13-9-17(10-14-20)16-5-3-2-4-6-16/h2-8,11-12,17,20H,9-10,13-14H2,1H3,(H,25,27)
InChIKeyVTWIGZHFGGUUOX-UHFFFAOYSA-N
XLogP5.25
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 4799748
N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805807
N-cyclopropyl-3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 162880928
5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide
CID 119427087
3-(3-bromophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
CID 50805790
N-[2-(4-fluorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 831462
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 167771669
N-(3,4-dihydro-2H-chromen-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 119041092
N-cyclopropyl-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]pyridazine-3-carboxamide
CID 67158061
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenylcyclohexyl)acetamide
CID 51646513
cis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675824
3-(4-fluorophenyl)-5-methyl-N-(naphthalen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 75402959

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide (CID 39128435) is 3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccc(F)cc2)c1C(=O)NC1CCC(c2ccccc2)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide?
The InChIKey is VTWIGZHFGGUUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c1-15-21(22(26-28-15)18-7-11-19(24)12-8-18)23(27)25-20-13-9-17(10-14-20)16-5-3-2-4-6-16/h2-8,11-12,17,20H,9-10,13-14H2,1H3,(H,25,27).
What are the key properties of 3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide?
3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 39128435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).